REMARK  Name = BDB045766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.214   0.159   0.575  0.00  0.00    +0.128 C 
ATOM      2  C   LIG    1        1.108  -1.055   0.397  0.00  0.00    +0.177 C 
ATOM      3  O   LIG    1        0.713  -2.217   0.414  0.00  0.00    -0.291 OA
ATOM      4  C   LIG    1        2.556  -0.777   0.271  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        2.995   0.548   0.244  0.00  0.00    +0.134 A 
ATOM      6  C   LIG    1        4.361   0.824   0.200  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1        5.273  -0.227   0.149  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1        4.845  -1.552   0.152  0.00  0.00    +0.046 A 
ATOM      9  O   LIG    1        2.152   1.626   0.289  0.00  0.00    -0.490 OA
ATOM     10  C   LIG    1        3.478  -1.829   0.217  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        0.841   1.318  -0.198  0.00  0.00    +0.245 C 
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -3.929  -0.360  -0.612  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1       -2.898  -0.720  -1.482  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1       -1.561  -0.569  -1.107  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -1.229  -0.053   0.153  0.00  0.00    -0.033 A 
ATOM     16  C   LIG    1       -2.269   0.310   1.020  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -3.609   0.156   0.642  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -6.273  -0.259  -0.235  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -5.189  -0.558  -1.105  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  15
BRANCH   7  20
ATOM     20  O   LIG    1        6.599   0.088   0.095  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1        7.118  -0.732   0.069  0.00  0.00    +0.292 HD
ENDBRANCH   7  20
TORSDOF 3